Group 13 monohalides [AX (A= B, Al, Ga and In; X= Halogens)] as alternative ligands for carbonyl in organometallics: Electronic structure and bonding analysis
F Paularokiadoss, TC Jeyakumar, R Thomas… - Computational and …, 2022 - Elsevier
Iron pentacarbonyl complexes have received a lot of interest because of their unique
bonding nature and trigonal bipyramidal structure. When one carbonyl in each of the axial …
bonding nature and trigonal bipyramidal structure. When one carbonyl in each of the axial …
Sb@Ni12@Sb20–/+ and Sb@Pd12@Sb20n Cluster Anions, Where n = +1, −1, −3, −4: Multi-Oxidation-State Clusters of Interpenetrating Platonic Solids
Y Wang, M Moses-DeBusk, L Stevens… - Journal of the …, 2017 - ACS Publications
K5Sb4 and K3Sb7 Zintl ion precursors react with Pd (PPh3) 4 in ethylenediamine/toluene/
PBu4+ solutions to give crystals of Sb@ Pd12@ Sb20 n–/PBu4+ salts, where n= 3, 4. The …
PBu4+ solutions to give crystals of Sb@ Pd12@ Sb20 n–/PBu4+ salts, where n= 3, 4. The …
Heterobimetallic Trihydrido Complex of Ruthenium and Rhodium Supported by Cyclopentadienyl Groups with Different Steric Demands
T Takao, T Monoe, R Shimogawa, K Nakamura - Organometallics, 2023 - ACS Publications
The reactivity of heterobimetallic trihydrido complexes of Ru and Rh supported by two kinds
of cyclopentadienyl groups that provide steric differentiation in the dinuclear reaction …
of cyclopentadienyl groups that provide steric differentiation in the dinuclear reaction …
Structural analysis and chemical descriptors analysis of 4‐aminopyridine adsorbed on M4 (M = Co, Ni, Cu) clusters: A DFT study
A Pahuja, TC Jeyakumar… - Vietnam Journal of …, 2022 - Wiley Online Library
The geometrical properties of 4‐Aminopyridine and the transition metal clusters M4 (M= Co,
Ni and Cu) adsorbed 4‐Aminopyridine were examined using DFT/B3LYP/6‐31G*/LANL2DZ …
Ni and Cu) adsorbed 4‐Aminopyridine were examined using DFT/B3LYP/6‐31G*/LANL2DZ …
A Ketimide-Stabilized Palladium Nanocluster with a Hexagonal Aromatic Pd7 Core
AW Cook, P Hrobárik, PL Damon, G Wu… - Inorganic …, 2020 - ACS Publications
Herein, we report the synthesis and characterization of the mixed-valent, ketimide-stabilized
Pd7 nanosheet,[Pd7 (N═ C t Bu2) 6](1), via reaction of PdCl2 (PhCN) 2 and Li (N═ C t …
Pd7 nanosheet,[Pd7 (N═ C t Bu2) 6](1), via reaction of PdCl2 (PhCN) 2 and Li (N═ C t …
A DFT study on structural and bonding analysis of transition-metal carbonyls with terminal haloborylene ligands [M (CO) 3 (BX)](M= Ni, Pd, and Pt; X= F, Cl, Br, and I)
F Paularokiadoss, A Sekar, TC Jeyakumar - Computational and Theoretical …, 2020 - Elsevier
The transition metal carbonyls with terminal haloborylene ligands [M (CO) 3 (BX)](M= Ni, Pd,
and Pt; X= F, Cl, Br, and I) have been studied by DFT calculations using B3LYP level theory …
and Pt; X= F, Cl, Br, and I) have been studied by DFT calculations using B3LYP level theory …
Tetrapalladium Complex with Bridging Germylene Ligands. Structural Change of the Planar Pd4Ge3 Core
A complex with a planar hexagonal Pd4Ge3 core,[Pd {Pd (dmpe)} 3 (μ3-GePh2) 3], was
synthesized and characterized by X-ray and NMR measurements as well as by DFT …
synthesized and characterized by X-ray and NMR measurements as well as by DFT …
Antimony (i)→ Pd (ii) complexes with the (μ-Sb) Pd 2 coordination framework
M Kořenková, M Hejda, R Jirásko, T Block, F Uhlík… - Dalton …, 2019 - pubs.rsc.org
The reaction of the antimony (I) compound ArSb (1)(where Ar= C6H3-2, 6-(CHNtBu) 2) with
various dimeric allyl palladium (II) complexes [Pd (η3-allyl)(μ-X)] 2 (where allyl= C3H5 or …
various dimeric allyl palladium (II) complexes [Pd (η3-allyl)(μ-X)] 2 (where allyl= C3H5 or …
Alternatives to Triple-Decker Sandwich Structures for Binuclear Cyclooctatetraene First-Row Transition Metal Complexes of the Type (C8H8)3M2
Y Lin, H Wang, X Wang, H Wang, RB King - Organometallics, 2022 - ACS Publications
The geometries and thermochemistry of the binuclear cyclooctatetraene metal complexes
(C8H8) 3M2 (M= Ti–Ni), including the experimentally known titanium and chromium …
(C8H8) 3M2 (M= Ti–Ni), including the experimentally known titanium and chromium …
Unraveling the Major Differences between the Trinuclear Cyclopentadienylmetal Carbonyl Chemistry of Cobalt and That of Nickel─ A Theoretical Study
Y Lin, H Wang, RB King - ACS omega, 2023 - ACS Publications
The geometries and energetics of the trinuclear cyclopentadienylmetal carbonyls Cp3M3
(CO) n (Cp= η5-C5H5); M= Co, Ni; n= 3, 2, 1, 0) have been investigated by density functional …
(CO) n (Cp= η5-C5H5); M= Co, Ni; n= 3, 2, 1, 0) have been investigated by density functional …